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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223917

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1223917
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 6
  • Element list: ['K', 'Ca', 'Mg', 'Si', 'H', 'O']
  • Chemical System: Ca-H-K-Mg-O-Si
  • Density: 2.898238763656363
  • Atomic Density: 0.08619213819342493
  • Unit Cell Volume: 487.2834214385915
  • Molar Volume: 6.986879414089524
  • Full Formula: K2 Ca1 Mg5 Si8 H2 O24
  • Reduced Formula: K2CaMg5Si8(HO12)2
  • Formula Anonymous: AB2C2D5E8F24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -310.08295132
  • Final energy per atom: -7.382927412380953
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.